0 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 3772AC [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(C)C1=NC=C(CN)C=C1 Y1981 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 W7084 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 N#CC1=CC=C(C(F)F)C=C1 8147AB [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 9688AB [0,0,0,0,0,0|2,0,1]=3 5 B10R1.3 C=CC1=NC=C(CC)C=C1 7768AB [1,0,0,0,0,0|2,0,0]=3 6 B10R1.3 CSC1=CC=C(C#N)C=C1 D346 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.3 NCC1=CC=C(CBr)C=C1 9484AE [1,0,0,0,0,0|2,0,1]=4 8 B10R1.3 NCC1=CC=C(CCl)C=C1 9520AE [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 CC(C)C1=CC=C(Br)N=N1 2209AJ [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(C)C1=CC=C(N)N=N1 8370AB [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 CC(C)C1=CN=C(N)N=C1 6893AC [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 0975AB [1,0,0,0,0,0|0,0,3]=4 13 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC1=CN=C(C(C)C)C=C1 1750AJ [1,0,0,0,0,0|1,0,1]=3 15 B10R1.13 CN(C)C1=NC=C(N)C=C1 W5002 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y6478 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 W5875 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.6 C#CC1=CC=C(C(C)(C)C)C=C1 8102AJ [0,1,0,0,0,0|1,0,1]=3 21 B12R1.6 CC(C)(C)C1=NC=C(CN)C=C1 Y1982 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=N1 4222AA [0,1,0,0,0,0|3,0,0]=4 23 B12R1.48 CC1=C(C=O)C=NC(N(C)C)=C1 1901AC [0,1,0,0,0,0|2,0,0]=3 24 B12R1.48 CN(C)C1=CC=C(C=O)C(F)=N1 Z0322 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 1177AJ [0,1,0,0,0,0|1,0,1]=3 26 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 9439AA [0,1,0,0,0,0|2,0,0]=3 27 B12R1.256 CC(C)C1=CC=C(C(=O)O)N=C1 2350AB [0,1,0,0,0,0|1,0,0]=2 28 B12R1.256 C[C@@H](N)C1=CC=C(C(N)=O)C=C1 8984AA [0,1,0,0,0,0|1,0,0]=2 29 B12R1.452 COC1=CC=C(C(C)C)C(F)=C1 X5912 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 2199AA [0,0,0,1,0,0|1,0,1]=3 31 B10R1.31 CC(C)C1=COC(C=O)=C1 3290AH [0,0,0,0,1,0|1,0,0]=2 32 B10R1.31 CC(C)C1=NOC(C=O)=N1 6202AC [0,0,0,0,1,0|3,0,0]=4 33 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 CCC1=NC=C(C)C=C1 9500AA [2,0,0,0,0,0|1,0,1]=4 35 B9R1.1 NC1=CC=C(C=O)C=C1 L628 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.83 CCCC1=NC=C(C=O)C=N1 3936AC [1,1,0,0,0,0|2,0,0]=4 40 B11R1.83 CCOC1=CC=C(CCl)C=C1 7680AE [1,1,0,0,0,0|1,0,1]=4 41 B11R1.83 O=CC1=CC=C(CCO)C=C1 8288AA [1,1,0,0,0,0|0,0,0]=2 42 B11R1.279 CCC1=CC=C(OC)C=C1O 2074AL [1,1,0,0,0,0|2,0,0]=4 43 B11R1.279 COC1=CC=C(C=O)C=C1N W5672 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.279 COC1=NC=C(C=O)C=C1Br Z0761 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.279 COC1=NC=C(C=O)C=C1F Z5255 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.279 CSC1=CC(C)=C(C=O)C=N1 Z0022 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.279 N#CC1=CC=C(C=O)C=C1Br 5479AJ [1,1,0,0,0,0|1,0,1]=4 49 B11R1.19 CC(C)(C)C1=CC=C(Br)C=N1 X6374 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.19 CC(C)(C)C1=CC=C(O)N=C1 2587AA [1,1,0,0,0,0|1,0,1]=4 51 B11R1.19 CC(C)(N)C1=CC=C(Cl)N=C1 7912AA [1,1,0,0,0,0|2,0,0]=4 52 B11R1.19 CC(C)(N)C1=CC=C(N)C=C1 2445AJ [1,1,0,0,0,0|1,0,0]=3 53 B11R1.19 CC(C)(O)C1=CC=C(N)C=C1 1130AJ [1,1,0,0,0,0|1,0,0]=3 54 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 5612AE [1,1,0,0,0,0|2,0,0]=4 55 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 X5539 [1,1,0,0,0,0|0,0,1]=3 56 B11R1.21 CC1=C(F)C=CC([C@@H](C)N)=C1 3792AA [1,1,0,0,0,0|2,0,0]=4 57 B11R1.21 CC1=CC([C@H](C)N)=CC=C1Cl W9678 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.21 CC1=CC=C(C(C)C)C=C1N B800 [1,1,0,0,0,0|0,0,1]=3 59 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 0358AA [1,1,0,0,0,0|2,0,0]=4 60 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 X3908 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.21 C[C@H](N)C1=CC=C(Cl)C(F)=C1 X9597 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.21 C[C@H](N)C1=CC=C(F)C(F)=C1 W5395 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 1725AC [1,1,0,0,0,0|1,0,0]=3 64 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [1,1,0,0,0,0|2,0,0]=4 65 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 6092AA [1,1,0,0,0,0|2,0,0]=4 67 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 2725AD [0,1,0,0,1,0|1,0,0]=3 68 B11R1.175 CC(C)C1=COC(C(=O)O)=N1 X6342 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 3118AB [0,1,0,0,1,0|2,0,0]=4 70 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 Y4696 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.175 CC(N)C1=CC=C(C(=O)O)O1 1702AF [0,1,0,0,1,0|2,0,0]=4 72 B13R1.4 CC(C)(C)SC1=CC=C(CO)C=C1 4339AE [0,1,0,0,0,1|0,0,2]=4 73 B13R1.35 CC(C)OC1=CC=C(C=O)C(F)=C1 Y3936 [0,1,0,0,0,1|0,0,0]=2 74 B13R1.35 CC1=CC(OC(C)C)=NC=C1C=O Z0034 [0,1,0,0,0,1|1,0,0]=3 75 B13R1.585 CC(C)CC1=CC=C([C@@H](C)N)C=C1 8351AH [0,1,0,0,0,1|1,0,1]=4 76 B13R1.585 CC(C)SC1=NC=C(N(=O)=O)C=C1 9979AL [0,1,0,0,0,1|2,0,0]=4 77 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=N1 2399AJ [0,1,0,0,0,1|2,0,0]=4 78 B13R1.653 CC(=O)NC1=C(Cl)C=C(C=O)C=C1 6480AB [0,1,0,0,0,1|1,0,1]=4 79 B13R1.187 CNS(=O)(=O)C1=CC=C(C=O)C=C1 3616AD [0,2,0,0,0,0|2,0,0]=4 80 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 6520AE [0,2,0,0,0,0|1,0,1]=4 81 B13R1.38 CC(C)(C)C1=CC(Cl)=C(C#N)C=C1 0436AC [0,2,0,0,0,0|1,0,1]=4 82 B13R1.38 CC(C)(C)C1=CC(O)=C(C#N)C=C1 7211AA [0,2,0,0,0,0|1,0,1]=4 83 B13R1.38 CC(C)(C)C1=CC=C(C=O)C(Br)=C1 X2124 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 2929AJ [0,2,0,0,0,0|1,0,0]=3 85 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 X6537 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.338 C[C@@H](N)C1=CC=C(C(C)(C)C)C=C1 V1293 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 V1294 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.120 CC(=O)C1=CC(Br)=C(N(C)C)C=C1 6970AA [0,2,0,0,0,0|1,0,0]=3 89 B13R1.120 CC(C)C1=C(Cl)C=C([N+](=O)[O-])C=C1 7459AB [0,2,0,0,0,0|1,0,0]=3 90 B13R1.120 CC(C)C1=C(F)C=C([N+](=O)[O-])C=C1 6537AA [0,2,0,0,0,0|1,0,0]=3 91 B13R1.120 CC(C)C1=C(I)C=C([N+](=O)[O-])C=C1 1913AA [0,2,0,0,0,0|1,0,0]=3 92 B13R1.120 CC(C)C1=CC(N)=C(C(=O)O)C=C1 2125AC [0,2,0,0,0,0|0,0,0]=2 93 B13R1.120 CN(C)C1=CC=C(C(=O)O)C=C1Br 1190AB [0,2,0,0,0,0|1,0,0]=3 94 B13R1.74 CN(C)C1=CC=C(\C=C\C#N)C=C1 9228AL [0,2,0,0,0,0|2,0,0]=4 95 B13R1.99 CN(C)C1=C(C#N)C=C(C=O)C=C1 7239AC [0,2,0,0,0,0|1,0,0]=3 96 B11R2.190 C#CC1=CC2=C(C=C1)CC2 7130AA [1,0,0,1,0,0|1,0,1]=4 97 B11R2.34 ClC1=CC=C(C2CO2)C=C1 0625AQ [1,0,0,1,0,0|2,0,0]=4 98 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)O1 2685AB [0,0,0,1,0,1|1,0,1]=4 99 B13R2.185 N#CC1=CC=C(C2CNC2)C=C1 2545AL [0,1,0,1,0,0|1,0,1]=4 100 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 V7513 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 X5726 [0,1,0,1,0,0|1,0,1]=4 102 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 5665AC [0,1,0,1,0,0|1,0,1]=4 103 B13R2.2130 O=CC1=CC=C2C(=O)OCC2=C1 3873AB [0,1,0,1,0,0|1,0,1]=4 104 B13R2.430 CC(C)C1=CC2=C(C=CN2)C=C1 0928AQ [0,1,0,1,0,0|1,0,0]=3 105 B13R2.430 CC(C)C1=CC=C2NC=CC2=C1 6837AC [0,1,0,1,0,0|1,0,0]=3 106 B13R2.428 O=[N+]([O-])C1=CC=C(C2CC2)C=C1 0677AC [0,1,0,1,0,0|1,0,0]=3 107 B11R1.20 CC(N)CC1=CC=C(O)C=C1 2498AL [1,0,0,0,0,1|1,0,1]=4 108 B11R1.20 CC1=CC=C(NC(C)C)C=C1 7984AC [1,0,0,0,0,1|0,0,1]=3 109 B11R1.266 CN(C)C1=CC=CC(C=O)=N1 0644AB [0,0,0,0,1,1|2,0,0]=4